| SpectraBase Compound ID | 8LdXAhfYUUV |
|---|---|
| InChI | InChI=1S/C30H40O9/c1-16-13-24(39-25(34)17(16)2)27(5,35)30(37)12-11-29(36)21-14-22(32)20-7-6-8-23(33)26(20,4)19(21)9-10-28(29,30)15-38-18(3)31/h6-8,19,21-22,24,32,35-37H,9-15H2,1-5H3/t19-,21+,22+,24-,26+,27+,28+,29+,30+/m0/s1 |
| InChIKey | NYUSQQNVOFOPQU-RAVJLRGRSA-N |
| Mol Weight | 544.6 g/mol |
| Molecular Formula | C30H40O9 |
| Exact Mass | 544.267233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2KkeXrrlBIh |
|---|---|
| Name | PHYSACOZTOLIDE_D |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H40O9 |
| InChI | InChI=1S/C30H40O9/c1-16-13-24(39-25(34)17(16)2)27(5,35)30(37)12-11-29(36)21-14-22(32)20-7-6-8-23(33)26(20,4)19(21)9-10-28(29,30)15-38-18(3)31/h6-8,19,21-22,24,32,35-37H,9-15H2,1-5H3/t19-,21+,22+,24-,26+,27+,28+,29+,30+/m0/s1 |
| InChIKey | NYUSQQNVOFOPQU-RAVJLRGRSA-N |
| Literature Reference Author | A.L.PEREZ-CASTORENA,R.F.OROPEZA,A.R.VAZQUEZ,M.MARTINEZ,E.MAL DONADO |
| Literature Reference Citation | J.NAT.PROD.,69,1029(2006) |
| Literature Reference DOI | 10.1021/np0601354 |
| Molecular Weight | 544.642 g/mol |
| Solvent | CDCl3:DMSO-D6 |
| Source File Reference | UWMZ18976 |